SCHEMBL7379770

SCHEMBL7379770

CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)C(C)(C)C[C@@H](C(=O)N1CCC(O)C1)N(C)C(=O)OC(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSK P43235 19/20 0.54
CTSL P07711 9/20 0.46
CTSS P25774 7/20 0.46
CTSB P07858 4/20 0.46
MAPK1 P28482 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7372044 0.83 CTSK (0.58) CTSKCTSLCTSSCTSB
SCHEMBL7342176 0.79 CTSK (0.58) CTSKCTSLCTSSCTSB
SCHEMBL7372135 0.77 CTSK (0.67) CTSKCTSLCTSSCTSB
SCHEMBL6580683 0.72 CTSK (0.89) CTSKCTSLCTSSCTSBMAPK1
SCHEMBL6165550 0.71 KMT2A (0.66) CTSKCTSLCTSSCTSBMAPK1
SCHEMBL6165558 0.71 KMT2A (0.66) CTSKCTSLCTSSCTSBMAPK1
SCHEMBL6165554 0.71 KMT2A (0.66) CTSKCTSLCTSSCTSBMAPK1
SCHEMBL14561117 0.71 CTSK (0.51) CTSKCTSLCTSSCTSB
SCHEMBL6581928 0.70 CTSK (0.82) CTSKCTSLCTSSCTSBMAPK1
SCHEMBL7382759 0.70 CTSK (0.57) CTSKCTSLCTSSCTSB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1997016177-A9 METHOD OF INHIBITING CATHEPSIN K 1997-07-24 WO disclosed